Molecular dynamics study on diamond nanowires mechanical properties: Strain rate, temperature and size dependent effects

Abstract

Using molecular dynamics simulations, strain rate, temperature and size dependent mechanical properties of < 001 > orientation diamond nanowires are investigated. It is found that, for the same cross-sectional areas, strain rates have almost no effect on yield strength and Young's modulus, provided strain rates are within the range from 0.001 to 0.025 ps − 1 . Our calculated results have also indicated that, at the temperature ranging from 100 to 500 K, diamond nanowires' yield strength, Young's modulus, fracture strength and fracture strain are all decreasing with increasing temperature. Furthermore, at the temperature of 300 K, yield strength, Young's modulus, fracture strength and fracture strain increase dramatically with increasing cross sectional area. Finally, orientation dependent diamond nanowires mechanical properties are studied.